Exact Mass: 120.095
Exact Mass Matches: 120.095
Found 209 metabolites which its exact mass value is equals to given mass value 120.095,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Acetophenone
Acetophenone appears as a colorless liquid with a sweet pungent taste and odor resembling the odor of oranges. Freezes under cool conditions. Slightly soluble in water and denser than water. Hence sinks in water. Vapor heavier than air. A mild irritant to skin and eyes. Vapors can be narcotic in high concentrations. Used as a flavoring, solvent, and polymerization catalyst. Acetophenone is a methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. It has a role as a photosensitizing agent, an animal metabolite and a xenobiotic. Acetophenone is used for fragrance in soaps and perfumes, as a flavoring agent in foods, and as a solvent for plastics and resins. Acute (short-term) exposure to acetophenone vapor may produce skin irritation and transient corneal injury in humans. No information is available on the chronic (long-term), reproductive, developmental, or carcinogenic effects of acetophenone in humans. EPA has classified acetophenone as a Group D, not classifiable as to human carcinogenicity. Acetophenone is a natural product found in Nepeta nepetella, Hypericum hyssopifolium, and other organisms with data available. Acetophenone is a metabolite found in or produced by Saccharomyces cerevisiae. Acetophenone is the organic compound with the formula C6H5C(O)CH3. It is the simplest aromatic ketone. This colourless, viscous liquid is a precursor to useful resins and fragrances. Acetophenone is found in chicory. Acetophenone is a flavouring ingredient used in fruit flavours. Acetophenone is a raw material for the synthesis of some pharmaceuticals and is also listed as an approved excipient by the U.S. FDA. In a 1994 report released by five top cigarette companies in the U.S., acetophenone was listed as one of the 599 additives to cigarettes. A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents Flavouring ingredient used in fruit flavours; leavening agent D003879 - Dermatologic Agents Acetophenone is an organic compound with simple structure[1]. Acetophenone is an organic compound with simple structure[1].
3-Methylbenzaldehyde
3-Methylbenzaldehyde, also known as 3-tolylaldehyde, belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 3-Methylbenzaldehyde exists in all living organisms, ranging from bacteria to humans. 3-Methylbenzaldehyde is a sweet, benzaldehyde, and cherry tasting compound. 3-Methylbenzaldehyde has been detected, but not quantified, in several different foods, such as sweet cherries, alcoholic beverages, garden tomato, coffee and coffee products, and tea. This could make 3-methylbenzaldehyde a potential biomarker for the consumption of these foods. A tolualdehyde compound with the methyl substituent at the 3-position.
M-tolualdehyde is a tolualdehyde compound with the methyl substituent at the 3-position. It has a role as a plant metabolite.
3-Methylbenzaldehyde is a natural product found in Aloe africana, Cichorium endivia, and other organisms with data available.
Flavouring ingredient. Component of FEMA 3068; see further under 4-Methylbenzaldehyde
4-Vinylphenol
4-hydroxystyrene is a member of the class of phenols that is styrene carrying a hydroxy substituent at position 4. It has a role as a human urinary metabolite and a human xenobiotic metabolite. It derives from a hydride of a styrene. 4-Vinylphenol is a natural product found in Streptomyces, Cedronella canariensis, and other organisms with data available. 4-Vinylphenol is a metabolite found in or produced by Saccharomyces cerevisiae. 4-hydroxystyrene occurs frequently in different ciders, wines, foods and berries, e.g. cloudberry. Styrene is a prohapten metabolized in the skin by aryl hydrocarbon hydroxylase (AHH, EC 1.14.14.1) to styrene epoxide acting as the true hapten. Styrene occurs in nature and as a synthetic product.(PMID: 6713846). Flavour component of tea; flavouring ingredient
Phenylacetaldehyde
Phenylacetaldehyde is one important oxidation-related aldehyde. Exposure to styrene gives phenylacetaldehyde as a secondary metabolite. Styrene has been implicated as reproductive toxicant, neurotoxicant, or carcinogen in vivo or in vitro. Phenylacetaldehyde could be formed by diverse thermal reactions during the cooking process together with C8 compounds is identified as a major aroma- active compound in cooked pine mushroom. Phenylacetaldehyde is readily oxidized to phenylacetic acid. Therefore will eventually be hydrolyzed and oxidized to yield phenylacetic acid that will be excreted primarily in the urine in conjugated form. (PMID: 16910727, 7818768, 15606130). Found in some essential oils, e.g. Citrus subspecies, Tagetes minuta (Mexican marigold) and in the mushroom Phallus impudicus (common stinkhorn). Flavouring ingredient COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Benzamidine
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 2169 KEIO_ID B004
Styrene Oxide
Styrene Oxide, also known as Epoxystyrene or Phenyloxirane, is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. Styrene Oxide is considered to be slightly soluble (in water) and basic D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
4-Methylbenzaldehyde
4-Methylbenzaldehyde, also known as p-toluylaldehyde or p-formyltoluene, belongs to the class of organic compounds known as benzoyl derivatives. A tolualdehyde compound with the methyl substituent at the 4-position. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 4-Methylbenzaldehyde is a cherry and fruity tasting compound. 4-Methylbenzaldehyde has been detected, but not quantified, in several different foods, such as caraway, sweet cherries, tea, nuts, and coffee and coffee products. Component of *FEMA 3068* together with the o- and m-isomers. Flavouring ingredient. Methylbenzaldehydes are present in roasted nuts, cooked beef, cider, tomato, coffee, tea and elderberry juice. 4-Methylbenzaldehyde is found in many foods, some of which are tea, caraway, nuts, and garden tomato. p-Tolualdehyde is an endogenous metabolite. p-Tolualdehyde is an endogenous metabolite.
2-Methylbenzaldehyde
Component of FEMA 3068. Flavouring ingredient (see further under 4-Methylbenzaldehyde
betaine aldehyde hydrate
Betaine aldehyde hydrate, also known as glycine betaine aldehyde hydric acid, is a member of the class of compounds known as cholines. Cholines are organic compounds containing a N,N,N-trimethylethanolammonium cation. Betaine aldehyde hydrate is soluble (in water) and a very weakly acidic compound (based on its pKa). Betaine aldehyde hydrate can be found in a number of food items such as wax apple, winter squash, cabbage, and common oregano, which makes betaine aldehyde hydrate a potential biomarker for the consumption of these food products.
Isopropylbenzene
Isopropylbenzene, also known as 2-phenylpropane or benzene, isopropyl, belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. Isopropylbenzene is found, on average, in the highest concentration within ceylon cinnamons and gingers. Isopropylbenzene has also been detected, but not quantified, in several different foods, such as celery stalks, cumins , herbs and spices, and sweet cherries. Isopropylbenzene is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Isopropylbenzene is a component of petroleum destillates. Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. Petroleum distillates are also irritating to the skin. Petroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. Treatment is mainly symptomatic and supportive. Volatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. Trace constituent of ginger oil (Zingiber officinale)
Mesitylene
Mesitylene or 1,3,5-trimethylbenzene is a derivative of benzene with three methyl substituents symmetrically placed on the ring. Isomeric trimethylbenzenes include hemimellitene (1,2,3-trimethylbenzene) and pseudocumene (1,2,4-trimethylbenzene). All three compounds have the formula C6H3(CH3)3, which is commonly abbreviated C6H3Me3. Mesitylene is a colourless liquid with sweet aromatic odor. It is a component of coal tar, which is its traditional source. It is a precursor to diverse fine chemicals. The mesityl group (Mes) is a substituent with the formula C6H3Me3.
m-Ethyl_toluene
m-Ethyl_toluene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.
1,2,4-Trimethylbenzene
1,2,4-trimethylbenzene, also known as pseudocumene or psi-cumene, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. 1,2,4-trimethylbenzene is a plastic tasting compound found in black walnut and corn, which makes 1,2,4-trimethylbenzene a potential biomarker for the consumption of these food products. 1,2,4-trimethylbenzene can be found primarily in urine. 1,2,4-trimethylbenzene exists in all eukaryotes, ranging from yeast to humans. 1,2,4-trimethylbenzene is a non-carcinogenic (not listed by IARC) potentially toxic compound. 1,2,4-Trimethylbenzene is a colorless liquid with chemical formula C9H12. It is a flammable aromatic hydrocarbon with a strong odor. It occurs naturally in coal tar and petroleum (about 3\\%). It is nearly insoluble in water, but well-soluble in ethanol, diethyl ether, and benzene.
o-Ethyltoluene
o-Ethyltoluene belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. o-Ethyltoluene is possibly neutral. These are compounds containing a benzene ring which bears a methane group.
Hemimellitene
Hemimellitene, also known as hemellitol or 123-trimethylbenzene, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Hemimellitene can be found in black walnut and corn, which makes hemimellitene a potential biomarker for the consumption of these food products. Hemimellitene can be found primarily in feces and saliva. Hemimellitene exists in all eukaryotes, ranging from yeast to humans. Hemimellitene is an organic compound with the chemical formula C6H3(CH3)3. Classified as an aromatic hydrocarbon, it is a flammable colorless liquid. It is nearly insoluble in water but soluble in organic solvents. It occurs naturally in coal tar and petroleum. It is one of the three isomers of trimethylbenzene. It is used in jet fuel, mixed with other hydrocarbons, to prevent the formation of solid particles which might damage the engine . Hemimellitene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.
2,3-Dihydrobenzofuran
2,3-dihydrobenzofuran is a member of the class of 1-benzofurans that is the 2,3-dihydroderivative of benzofuran. It has a role as a metabolite. 2,3-Dihydrobenzofuran is a natural product found in Phyla nodiflora, Vitis vinifera, and other organisms with data available. 2,3-dihydrobenzofuran, also known as coumaran, is a clear very slight yellow oily liquid. It is slightly soluble in water, and is formed by reducing coumarone of which it is the dihydride. A member of the class of 1-benzofurans that is the 2,3-dihydroderivative of benzofuran. Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1]. Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1].
2-Methyl-3-vinylpyrazine
2-Methyl-3-vinylpyrazine is a flavouring ingredient with a fresh, hazelnut, earthy note. Flavouring ingredient with a fresh, hazelnut, earthy note
1,2,4-Tris(methylene)cyclohexane
1,2,4-Tris(methylene)cyclohexane is found in fruits. 1,2,4-Tris(methylene)cyclohexane is a minor component of blackcurrant (Ribes nigrum) dormant buds. Minor component of blackcurrant (Ribes nigrum) dormant buds. 1,2,4-Tris(methylene)cyclohexane is found in fruits.
xi-2-Mercapto-3-methyl-1-butanol
xi-2-Mercapto-3-methyl-1-butanol is found in alcoholic beverages. Substance found in beer causing unpleasant aftertaste. Substance found in beer causing unpleasant aftertaste
3-Mercapto-3-methyl-1-butanol
3-Mercapto-3-methyl-1-butanol is found in alcoholic beverages. 3-Mercapto-3-methyl-1-butanol is found in coffee volatiles, white wine and passion fruit. 3-Mercapto-3-methyl-1-butanol is a flavouring agent for baked goods, meat products etc Found in coffee volatiles, white wine and passion fruit. Flavouring agent for baked goods, meat products etc.
Propylbenzene
Propylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.
Lentialexin
Lentialexin is found in mushrooms. Lentialexin is produced by a mixed culture of Lentinus edodes (shiitake) and Trichoderma polysporum. Production by a mixed culture of Lentinus edodes (shiitake) and Trichoderma polysporum. Lentialexin is found in mushrooms.
2-Methyl-5-vinylpyrazine
Aroma constituent of raw or cooked asparagus, baked or chipped potato, wheat bread, fried chicken, pork liver, cooked beef, cocoa, roasted coffee, roasted filbert, roasted peanut, popcorn, sukiyaki and roasted sesame seed oil. 2-Methyl-5-vinylpyrazine is found in many foods, some of which are cocoa and cocoa products, animal foods, potato, and coffee and coffee products. 2-Methyl-5-vinylpyrazine is found in animal foods. Aroma constituent of raw or cooked asparagus, baked or chipped potato, wheat bread, fried chicken, pork liver, cooked beef, cocoa, roasted coffee, roasted filbert, roasted peanut, popcorn, sukiyaki and roasted sesame seed oil.
3-Mercapto-2-methyl-1-butanol
3-Mercapto-2-methyl-1-butanol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000970 - Antineoplastic Agents
(1-Methylethenyl)pyrazine
(1-Methylethenyl)pyrazine is found in animal foods. (1-Methylethenyl)pyrazine is a flavouring ingredient. (1-Methylethenyl)pyrazine is present in roasted sesame seed, roasted coffee beans, roasted peanut, Oolong tea, cooked beef, fried chicken, roasted cocoa beans, tortilla chips and fermented soybeans. (1-Methylethenyl)pyrazine is a maillard product. (1-Methylethenyl)pyrazine is a Maillard product and can be used as flavouring ingredient. It is found in roasted sesame seed, roasted coffee beans, roasted peanut, oolong tea, cooked beef, fried chicken, roasted cocoa beans, tortilla chips and fermented soybeans.
1-Propenylpyrazine
Maillard product. Volatile constituent of yeast extract, roasted peanut, roasted coconut, roasted sesame, coffee, bread aroma, cocoa and extrusion cooked wheat or maize flour. 1-Propenylpyrazine is found in many foods, some of which are mushrooms, cocoa and cocoa products, cereals and cereal products, and coffee and coffee products. 1-Propenylpyrazine is found in cereals and cereal products. 1-Propenylpyrazine is a maillard product. 1-Propenylpyrazine is a volatile constituent of yeast extract, roasted peanut, roasted coconut, roasted sesame, coffee, bread aroma, cocoa and extrusion cooked wheat or maize flour.
4-(Methylthio)-2-butanol
4-(Methylthio)-2-butanol is found in alcoholic beverages. 4-(Methylthio)-2-butanol is formed during fermentation of white wines. Formed during fermentation of white wines. 4-(Methylthio)-2-butanol is found in alcoholic beverages.
4-(Methylthio)-1-butanol
4-(Methylthio)-1-butanol is found in coffee and coffee products. 4-(Methylthio)-1-butanol is present in coffee. 4-(Methylthio)-1-butanol is a flavouring ingredient. Present in coffee. Flavouring ingredient. 4-(Methylthio)-1-butanol is found in coffee and coffee products.
2-(2-Methoxyethoxy)ethanol
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1,2,3-TRIMETHYLBENZENE
A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea.
Benzamidine
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors CONFIDENCE standard compound; INTERNAL_ID 2169
phenylacetaldehyde
An aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Kumaran
Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1]. Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1].
gosspyl acetate
D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000970 - Antineoplastic Agents
5H-Cyclopenta pyrimidine,6,7-dihydro-(6CI,7CI,8CI,9CI)
(S)-2-FORMYL-PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
3-Mercaptopentanol
An alkanethiol that is pentane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively.
2-(Trimethylammonium)ethyl thiol
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Hyacinthin
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Coumaran
Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1]. Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1].
c0242
m-Tolualdehyde (3-Methylbenzaldehyde) is a tolualdehyde compound with the methyl substituent at the 3-position. m-Tolualdehyde can be used as a food additive. m-Tolualdehyde (3-Methylbenzaldehyde) is a tolualdehyde compound with the methyl substituent at the 3-position. m-Tolualdehyde can be used as a food additive.
p-Tolualdehyde
A tolualdehyde compound with the methyl substituent at the 4-position. p-Tolualdehyde is an endogenous metabolite. p-Tolualdehyde is an endogenous metabolite.
Styrene oxide
An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Methyl-PEG2-alcohol
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-Methyl-3-sulfanylbutan-1-ol
An alkanethiol that is butane substituted at position 1 by a hydroxy group and at position 3 by methyl and sulfanyl groups. A volatile organic compound found in coffee, passion fruit juice, beer and domestic cat urine.
2-methyl-3-sulfanylbutan-1-ol
An alkanethiol that is butan-1-ol substituted at positions 2 and 3 by methyl and sulfanyl groups respectively.
4-hydroxystyrene
A member of the class of phenols that is styrene carrying a hydroxy substituent at position 4.
O-Tolualdehyde
A tolualdehyde compound with the methyl substituent at the 2-position.
